2-[2-(Methylthio)phenoxy]ethylamine - CAS 72955-86-3

Catalog:	BB034731
Product Name:	2-[2-(Methylthio)phenoxy]ethylamine
CAS:	72955-86-3
Synonyms:	2-[2-(methylthio)phenoxy]ethanamine; 2-(2-methylsulfanylphenoxy)ethanamine

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(2-methylsulfanylphenoxy)ethanamine
Description:	2-[2-(Methylthio)phenoxy]ethylamine (CAS# 72955-86-3) is a useful research chemical.
Molecular Weight:	183.27
Molecular Formula:	C9H13NOS
Canonical SMILES:	CSC1=CC=CC=C1OCCN
InChI:	InChI=1S/C9H13NOS/c1-12-9-5-3-2-4-8(9)11-7-6-10/h2-5H,6-7,10H2,1H3
InChI Key:	IKIYPTDCNNXUJN-UHFFFAOYSA-N
LogP:	2.44630

Publication Number	Title	Priority Date
AU-2017281742-A1	Compounds for treating disorders sensitive to serotoninergic regulation controlled by the 5-HT1A receptors	20160624
EP-3260452-A1	Compounds for treating disorders sensitive to serotoninergic regulation controlled by the 5-ht1a receptors	20160624
EP-3475268-A1	Compounds for treating disorders sensitive to serotoninergic regulation controlled by the 5-ht1a receptors	20160624
JP-2019519615-A	Novel compounds for treating disorders sensitive to 5-HT1A receptor-controlled serotoninergic control	20160624
US-10562853-B2	Compounds for treating disorders sensitive to serotoninergic regulation controlled by the 5-HT1A receptors	20160624

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Complexity:	121
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.07178521
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	183.07178521
Rotatable Bond Count:	4
Topological Polar Surface Area:	60.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5